KEGG   COMPOUND: C11637Help
Entry
C11637                      Compound                               

Name
3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate
Formula
C24H38O4
Exact mass
390.277
Mol weight
390.5561
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST04 Bile acids and derivatives
   ST0401 C24 bile acids, alcohols, and derivatives
    C11637  3alpha,12alpha-Dihydroxy-5beta-chol-6-enoic acid
BRITE hierarchy
Other DBs
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LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C1x C    23.0456  -19.8720
            2   C1y C    23.0456  -21.2424
            3   C1x C    24.2387  -21.9277
            4   C1x C    24.2387  -19.1797
            5   C1z C    25.4246  -19.8720
            6   C1y C    25.4185  -21.2424
            7   C2x C    26.5987  -21.9328
            8   C2x C    27.7918  -21.2528
            9   C1y C    26.6106  -19.1848
            10  C1y C    27.7918  -19.8852
            11  C1y C    27.8147  -17.1445
            12  C1x C    26.6221  -17.8181
            13  C1z C    28.9890  -17.8378
            14  C1y C    28.9722  -19.2004
            15  C1x C    31.3387  -19.1596
            16  C1x C    31.3556  -17.8671
            17  C1y C    30.1807  -17.1712
            18  C1c C    30.1976  -15.8007
            19  C1b C    31.3814  -15.1319
            20  C1b C    32.5613  -15.8312
            21  C6a C    33.7550  -15.1671
            22  O6a O    34.9278  -15.8665
            23  O6a O    33.7740  -13.7967
            24  C1a C    29.0154  -14.6120
            25  C1a C    28.9796  -16.7470
            26  O1a O    27.8069  -15.7677
            27  O1a O    21.8588  -21.9206
            28  C1a C    25.4121  -18.4944
BOND        31
            1     7   8 2
            2    13  14 1
            3    15  16 1
            4    16  17 1
            5    17  13 1
            6    14  15 1
            7     8  10 1
            8    17  18 1
            9     9   5 1
            10   18  19 1
            11    5   4 1
            12   19  20 1
            13    4   1 1
            14   20  21 1
            15   21  22 1
            16    1   2 1
            17   21  23 2
            18    9  10 1
            19   18  24 1 #Down
            20   10  14 1
            21   13  25 1 #Up
            22   13  11 1
            23   11  26 1 #Down
            24   11  12 1
            25    2  27 1 #Down
            26   12   9 1
            27    2   3 1
            28    5  28 1 #Up
            29    3   6 1
            30    5   6 1
            31    6   7 1

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